UCSF

ZINC14953262

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 29 No

Popular Name: [(2S)-2-hydroxy-3-phosphonooxy-propyl] [(2S)-2-hydroxy-3-phosphonooxy-p…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.95 11.87 -133.11 1 7 -2 119 434.51 21 ↓
Mid Mid (pH 6-8) 5.95 10.71 -45.13 2 7 -1 116 435.518 21 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-2-E Autotaxin (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENPP2_HUMAN Q13822 Autotaxin, Human 100 0.34 Binding ≤ 1μM
ENPP2_HUMAN Q13822 Autotaxin, Human 100 0.34 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )